OpenRaiser/Intern-Atlas huggingface dataset:
Optimal Stochastic Non-smooth Non-convex Optimization through Online-to-Non-convex Conversion
Venue: arXiv cs.LG 2025
Year: 2025

We present new algorithms for optimizing non-smooth, non-convex stochastic objectives based on a novel analysis technique. This improves the current best-known complexity for finding a $(δ,ε)$-stationary point from $O(ε^{-4}δ^{-1})$ stochastic gradient queries to $O(ε^{-3}δ^{-1})$, which we also show to be optimal. Our primary technique is a reduction from non-smooth non-convex optimization to online learning, after which our results follow from standard regret bounds in online learning. For deterministic and second-order smooth objectives, applying more advanced optimistic online learning techniques enables a new complexity of $O(ε^{-1.5}δ^{-0.5})$. Our techniques also recover all optimal or best-known results for finding $ε$ stationary points of smooth or second-order smooth objectives in both stochastic and deterministic settings.
A Survey on Event Prediction Methods from a Systems Perspective: Bringing Together Disparate Research Areas
Venue: arXiv cs.AI 2025
Year: 2025

Event prediction is the ability of anticipating future events, i.e., future real-world occurrences, and aims to support the user in deciding on actions that change future events towards a desired state. An event prediction method learns the relation between features of past events and future events. It is applied to newly observed events to predict corresponding future events that are evaluated with respect to the user's desired future state. If the predicted future events do not comply with this state, actions are taken towards achieving desirable future states. Evidently, event prediction is valuable in many application domains such as business and natural disasters. The diversity of application domains results in a diverse range of methods that are scattered across various research areas which, in turn, use different terminology for event prediction methods. Consequently, sharing methods and knowledge for developing future event prediction methods is restricted. To facilitate knowledge sharing on account of a comprehensive integration and assessment of event prediction methods, we take a systems perspective to integrate event prediction methods into a single system, elicit requirements, and assess existing work with respect to the requirements. Based on the assessment, we identify open challenges and discuss future research directions.
An Epistemic and Aleatoric Decomposition of Arbitrariness to Constrain the Set of Good Models
Venue: arXiv cs.LG 2025
Year: 2025

Recent research reveals that machine learning (ML) models are highly sensitive to minor changes in their training procedure, such as the inclusion or exclusion of a single data point, leading to conflicting predictions on individual data points; a property termed as arbitrariness or instability in ML pipelines in prior work. Drawing from the uncertainty literature, we show that stability decomposes into epistemic and aleatoric components, capturing the consistency and confidence in prediction, respectively. We use this decomposition to provide two main contributions. Our first contribution is an extensive empirical evaluation. We find that (i) epistemic instability can be reduced with more training data whereas aleatoric instability cannot; (ii) state-of-the-art ML models have aleatoric instability as high as 79% and aleatoric instability disparities among demographic groups as high as 29% in popular fairness benchmarks; and (iii) fairness pre-processing interventions generally increase aleatoric instability more than in-processing interventions, and both epistemic and aleatoric instability are highly sensitive to data-processing interventions and model architecture. Our second contribution is a practical solution to the problem of systematic arbitrariness. We propose a model selection procedure that includes epistemic and aleatoric criteria alongside existing accuracy and fairness criteria, and show that it successfully narrows down a large set of good models (50-100 on our datasets) to a handful of stable, fair and accurate ones. We built and publicly released a python library to measure epistemic and aleatoric multiplicity in any ML pipeline alongside existing confusion-matrix-based metrics, providing practitioners with a rich suite of evaluation metrics to use to define a more precise criterion during model selection.
Strategies as Resource Terms, and their Categorical Semantics
Venue: arXiv cs.LO 2025
Year: 2025

As shown by Tsukada and Ong, simply-typed, normal and eta-long resource terms correspond to plays in Hyland-Ong games, quotiented by Melliès' homotopy equivalence. The original proof of this inspiring result is indirect, relying on the injectivity of the relational model w.r.t. both sides of the correspondence -- in particular, the dynamics of the resource calculus is taken into account only via the compatibility of the relational model with the composition of normal terms defined by normalization. In the present paper, we revisit and extend these results. Our first contribution is to restate the correspondence by considering causal structures we call augmentations, which are canonical representatives of Hyland-Ong plays up to homotopy. This allows us to give a direct and explicit account of the connection with normal resource terms. As a second contribution, we extend this account to the reduction of resource terms: building on a notion of strategies as weighted sums of augmentations, we provide a denotational model of the resource calculus, invariant under reduction. A key step -- and our third contribution -- is a categorical model we call a resource category, which is to the resource calculus what differential categories are to the differential lambda-calculus.
Robot Synesthesia: A Sound and Emotion Guided AI Painter
Venue: arXiv cs.CV 2025
Year: 2025

If a picture paints a thousand words, sound may voice a million. While recent robotic painting and image synthesis methods have achieved progress in generating visuals from text inputs, the translation of sound into images is vastly unexplored. Generally, sound-based interfaces and sonic interactions have the potential to expand accessibility and control for the user and provide a means to convey complex emotions and the dynamic aspects of the real world. In this paper, we propose an approach for using sound and speech to guide a robotic painting process, known here as robot synesthesia. For general sound, we encode the simulated paintings and input sounds into the same latent space. For speech, we decouple speech into its transcribed text and the tone of the speech. Whereas we use the text to control the content, we estimate the emotions from the tone to guide the mood of the painting. Our approach has been fully integrated with FRIDA, a robotic painting framework, adding sound and speech to FRIDA's existing input modalities, such as text and style. In two surveys, participants were able to correctly guess the emotion or natural sound used to generate a given painting more than twice as likely as random chance. On our sound-guided image manipulation and music-guided paintings, we discuss the results qualitatively.
Removing Structured Noise with Diffusion Models
Venue: arXiv cs.LG 2025
Year: 2025

Solving ill-posed inverse problems requires careful formulation of prior beliefs over the signals of interest and an accurate description of their manifestation into noisy measurements. Handcrafted signal priors based on e.g. sparsity are increasingly replaced by data-driven deep generative models, and several groups have recently shown that state-of-the-art score-based diffusion models yield particularly strong performance and flexibility. In this paper, we show that the powerful paradigm of posterior sampling with diffusion models can be extended to include rich, structured, noise models. To that end, we propose a joint conditional reverse diffusion process with learned scores for the noise and signal-generating distribution. We demonstrate strong performance gains across various inverse problems with structured noise, outperforming competitive baselines that use normalizing flows and adversarial networks. This opens up new opportunities and relevant practical applications of diffusion modeling for inverse problems in the context of non-Gaussian measurement models.
Do PAC-Learners Learn the Marginal Distribution?
Venue: arXiv cs.LG 2025
Year: 2025

The Fundamental Theorem of PAC Learning asserts that learnability of a concept class $H$ is equivalent to the $\textit{uniform convergence}$ of empirical error in $H$ to its mean, or equivalently, to the problem of $\textit{density estimation}$, learnability of the underlying marginal distribution with respect to events in $H$. This seminal equivalence relies strongly on PAC learning's `distribution-free' assumption, that the adversary may choose any marginal distribution over data. Unfortunately, the distribution-free model is known to be overly adversarial in practice, failing to predict the success of modern machine learning algorithms, but without the Fundamental Theorem our theoretical understanding of learning under distributional constraints remains highly limited. In this work, we revisit the connection between PAC learning, uniform convergence, and density estimation beyond the distribution-free setting when the adversary is restricted to choosing a marginal distribution from a known family $\mathscr{P}$. We prove that while the traditional Fundamental Theorem indeed fails, a finer-grained connection between the three fundamental notions continues to hold: 1. PAC-Learning is strictly sandwiched between two refined models of density estimation, differing only in whether the learner $\textit{knows}$ the set of well-estimated events in $H$. 2. Under reasonable assumptions on $H$ and $\mathscr{P}$, density estimation is equivalent to $\textit{uniform estimation}$, a relaxation of uniform convergence allowing non-empirical estimators. Together, our results give a clearer picture of how the Fundamental Theorem extends beyond the distribution-free setting and shed new light on the classically challenging problem of learning under arbitrary distributional assumptions.
Towards Writing Style Adaptation in Handwriting Recognition
Venue: arXiv cs.CV 2025
Year: 2025

One of the challenges of handwriting recognition is to transcribe a large number of vastly different writing styles. State-of-the-art approaches do not explicitly use information about the writer's style, which may be limiting overall accuracy due to various ambiguities. We explore models with writer-dependent parameters which take the writer's identity as an additional input. The proposed models can be trained on datasets with partitions likely written by a single author (e.g. single letter, diary, or chronicle). We propose a Writer Style Block (WSB), an adaptive instance normalization layer conditioned on learned embeddings of the partitions. We experimented with various placements and settings of WSB and contrastively pre-trained embeddings. We show that our approach outperforms a baseline with no WSB in a writer-dependent scenario and that it is possible to estimate embeddings for new writers. However, domain adaptation using simple fine-tuning in a writer-independent setting provides superior accuracy at a similar computational cost. The proposed approach should be further investigated in terms of training stability and embedding regularization to overcome such a baseline.
Self-Emotion-Mediated Exploration in Artificial Intelligence Mirrors: Findings from Cognitive Psychology
Venue: arXiv cs.AI 2025
Year: 2025

Background: Exploration of the physical environment is an indispensable precursor to information acquisition and knowledge consolidation for living organisms. Yet, current artificial intelligence models lack these autonomy capabilities during training, hindering their adaptability. This work proposes a learning framework for artificial agents to obtain an intrinsic exploratory drive, based on epistemic and achievement emotions triggered during data observation. Methods: This study proposes a dual-module reinforcement framework, where data analysis scores dictate pride or surprise, in accordance with psychological studies on humans. A correlation between these states and exploration is then optimized for agents to meet their learning goals. Results: Causal relationships between states and exploration are demonstrated by the majority of agents. A 15.4\% mean increase is noted for surprise, with a 2.8\% mean decrease for pride. Resulting correlations of $ρ_{surprise}=0.461$ and $ρ_{pride}=-0.237$ are obtained, mirroring previously reported human behavior. Conclusions: These findings lead to the conclusion that bio-inspiration for AI development can be of great use. This can incur benefits typically found in living beings, such as autonomy. Further, it empirically shows how AI methodologies can corroborate human behavioral findings, showcasing major interdisciplinary importance. Ramifications are discussed.
Unveiling the Unseen: A Comprehensive Survey on Explainable Anomaly Detection in Images and Videos
Venue: arXiv cs.LG 2025
Year: 2025

Anomaly detection and localization in visual data, including images and videos, are crucial in machine learning and real-world applications. Despite rapid advancements in visual anomaly detection (VAD), interpreting these often black-box models and explaining why specific instances are flagged as anomalous remains challenging. This paper provides the first comprehensive survey focused specifically on explainable 2D visual anomaly detection (X-VAD), covering methods for both images (IAD) and videos (VAD). We first introduce the background of IAD and VAD. Then, as the core contribution, we present a thorough literature review of explainable methods, categorized by their underlying techniques (e.g., attention-based, generative model-based, reasoning-based, foundation model-based). We analyze the commonalities and differences in applying these methods across image and video modalities, highlighting modality-specific challenges and opportunities for explainability. Additionally, we summarize relevant datasets and evaluation metrics, discussing both standard performance metrics and emerging approaches for assessing explanation quality (e.g., faithfulness, stability). Finally, we discuss promising future directions and open problems, including quantifying explanation quality, explaining diverse AD paradigms (SSL, zero-shot), enhancing context-awareness, leveraging foundation models responsibly, and addressing real-world constraints like efficiency and robustness. A curated collection of related resources is available at https://github.com/wyzjack/Awesome-XAD.
Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Adversarial Networks
Venue: arXiv cs.LG 2025
Year: 2025

Discovering novel drug candidate molecules is one of the most fundamental and critical steps in drug development. Generative deep learning models, which create synthetic data given a probability distribution, offer a high potential for designing de novo molecules. However, to be utilisable in real life drug development pipelines, these models should be able to design drug like and target centric molecules. In this study, we propose an end to end generative system, DrugGEN, for the de novo design of drug candidate molecules that interact with intended target proteins. The proposed method represents molecules as graphs and processes them via a generative adversarial network comprising graph transformer layers. The system is trained using a large dataset of drug like compounds and target specific bioactive molecules to design effective inhibitory molecules against the AKT1 protein, which is critically important in developing treatments for various types of cancer. We conducted molecular docking and dynamics to assess the target centric generation performance of the model, as well as attention score visualisation to examine model interpretability. In parallel, selected compounds were chemically synthesised and evaluated in the context of in vitro enzymatic assays, which identified two bioactive molecules that inhibited AKT1 at low micromolar concentrations. These results indicate that DrugGEN's de novo molecules have a high potential for interacting with the AKT1 protein at the level of its native ligands. Using the open access DrugGEN codebase, it is possible to easily train models for other druggable proteins, given a dataset of experimentally known bioactive molecules.
Transformadores: Fundamentos teoricos y Aplicaciones
Venue: arXiv cs.CL 2025
Year: 2025

Transformers are a neural network architecture originally developed for natural language processing, which have since become a foundational tool for solving a wide range of problems, including text, audio, image processing, reinforcement learning, and other tasks involving heterogeneous input data. Their hallmark is the self-attention mechanism, which allows the model to weigh different parts of the input sequence dynamically, and is an evolution of earlier attention-based approaches. This article provides readers with the necessary background to understand recent research on transformer models, and presents the mathematical and algorithmic foundations of their core components. It also explores the architecture's various elements, potential modifications, and some of the most relevant applications. The article is written in Spanish to help make this scientific knowledge more accessible to the Spanish-speaking community.
Classification via Two-Way Comparisons
Venue: arXiv cs.DS 2025
Year: 2025

Given a weighted, ordered query set $Q$ and a partition of $Q$ into classes, we study the problem of computing a minimum-cost decision tree that, given any query $q$ in $Q$, uses equality tests and less-than comparisons to determine the class to which $q$ belongs. Such a tree can be much smaller than a lookup table, and much faster and smaller than a conventional search tree. We give the first polynomial-time algorithm for the problem. The algorithm extends naturally to the setting where each query has multiple allowed classes.
Logit-Q Dynamics for Efficient Learning in Stochastic Teams
Venue: arXiv cs.GT 2025
Year: 2025

We present a new family of logit-Q dynamics for efficient learning in stochastic games by combining the log-linear learning (also known as logit dynamics) for the repeated play of normal-form games with Q-learning for unknown Markov decision processes within the auxiliary stage-game framework. In this framework, we view stochastic games as agents repeatedly playing some stage game associated with the current state of the underlying game while the agents' Q-functions determine the payoffs of these stage games. We show that the logit-Q dynamics presented reach (near) efficient equilibrium in stochastic teams with unknown dynamics and quantify the approximation error. We also show the rationality of the logit-Q dynamics against agents following pure stationary strategies and the convergence of the dynamics in stochastic games where the stage-payoffs induce potential games, yet only a single agent controls the state transitions beyond stochastic teams. The key idea is to approximate the dynamics with a fictional scenario where the Q-function estimates are stationary over epochs whose lengths grow at a sufficiently slow rate. We then couple the dynamics in the main and fictional scenarios to show that these two scenarios become more and more similar across epochs due to the vanishing step size and growing epoch lengths.
WW-FL: Secure and Private Large-Scale Federated Learning
Venue: arXiv cs.LG 2025
Year: 2025

Federated learning (FL) is an efficient approach for large-scale distributed machine learning that promises data privacy by keeping training data on client devices. However, recent research has uncovered vulnerabilities in FL, impacting both security and privacy through poisoning attacks and the potential disclosure of sensitive information in individual model updates as well as the aggregated global model. This paper explores the inadequacies of existing FL protection measures when applied independently, and the challenges of creating effective compositions. Addressing these issues, we propose WW-FL, an innovative framework that combines secure multi-party computation (MPC) with hierarchical FL to guarantee data and global model privacy. One notable feature of WW-FL is its capability to prevent malicious clients from directly poisoning model parameters, confining them to less destructive data poisoning attacks. We furthermore provide a PyTorch-based FL implementation integrated with Meta's CrypTen MPC framework to systematically measure the performance and robustness of WW-FL. Our extensive evaluation demonstrates that WW-FL is a promising solution for secure and private large-scale federated learning.
ByzSecAgg: A Byzantine-Resistant Secure Aggregation Scheme for Federated Learning Based on Coded Computing and Vector Commitment
Venue: arXiv cs.CR 2025
Year: 2025

In this paper, we propose ByzSecAgg, an efficient secure aggregation scheme for federated learning that is resistant to Byzantine attacks and privacy leakages. Processing individual updates to manage adversarial behavior, while preserving the privacy of the data against colluding nodes, requires some sort of secure secret sharing. However, the communication load for secret sharing of long vectors of updates can be very high. In federated settings, where users are often edge devices with potential bandwidth constraints, excessive communication overhead is undesirable. ByzSecAgg solves this problem by partitioning local updates into smaller sub-vectors and sharing them using ramp secret sharing. However, this sharing method does not admit bilinear computations, such as pairwise distances calculations, which are needed for distance-based outlier-detection algorithms, and effective methods for mitigating Byzantine attacks. To overcome this issue, each user runs another round of ramp sharing, with a different embedding of the data in the sharing polynomial. This technique, motivated by ideas from coded computing, enables secure computation of pairwise distance. In addition, to maintain the integrity and privacy of the local update, ByzSecAgg also uses a vector commitment method, in which the commitment size remains constant (i.e., does not increase with the length of the local update), while simultaneously allowing verification of the secret sharing process. In terms of communication load, ByzSecAgg significantly outperforms the related baseline scheme, known as BREA.
AttNS: Attention-Inspired Numerical Solving For Limited Data Scenarios
Venue: arXiv cs.LG 2025
Year: 2025

We propose the attention-inspired numerical solver (AttNS), a concise method that helps the generalization and robustness issues faced by the AI-Hybrid numerical solver in solving differential equations due to limited data. AttNS is inspired by the effectiveness of attention modules in Residual Neural Networks (ResNet) in enhancing model generalization and robustness for conventional deep learning tasks. Drawing from the dynamical system perspective of ResNet, we seamlessly incorporate attention mechanisms into the design of numerical methods tailored for the characteristics of solving differential equations. Our results on benchmarks, ranging from high-dimensional problems to chaotic systems, showcases AttNS consistently enhancing various numerical solvers without any intricate model crafting. Finally, we analyze AttNS experimentally and theoretically, demonstrating its ability to achieve strong generalization and robustness while ensuring the convergence of the solver. This includes requiring less data compared to other advanced methods to achieve comparable generalization errors and better prevention of numerical explosion issues when solving differential equations.